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Molecule
2-(2-Aminobenzoyl)Benzoic Acid
CAS: 1147-43-9 · C14H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1147-43-9
- Molecular Formula
- C14H11NO3
- Molecular Mass
- 241.25 g/mol
Identifiers
CAS Registry Number
1147-43-9
SMILES
Nc1ccccc1C(=O)c1ccccc1C(=O)O
InChI Key
KORKIRUGUNPQML-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)
Names and Synonyms
- 2-(2-Aminobenzoyl)Benzoic Acid Synonym
- Benzoic acid, 2-(2-aminobenzoyl)- Synonym
- Benzoic acid, o-anthraniloyl- Synonym
- 2-(2-Aminobenzoyl)benzoic acid Synonym
- 2-Amino-2′-carboxybenzophenone Synonym
- o-Anthraniloylbenzoic acid Synonym
- 2-Aminobenzophenone-2′-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.25 g/mol | CAS Common Chemistry |
| 241.246 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1C(=O)C=2C=CC=CC2N | CAS Common Chemistry |
| InChI | InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=KORKIRUGUNPQML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199 °C | CAS Common Chemistry |
| Name | 2-(2-Aminobenzoyl)benzoic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | 2.198 | RDKit |
| Molar Refractivity | 67.68820000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 241.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 241.25 g/mol. Edit any field — others recompute live.
